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116614-90-5 | Acetic acid, 2-[1-(4-methoxyphenyl)-2-pyrrolidinylidene]-, ethyl ester, (2E)-
CAS No: 116614-90-5 Catalog No: AG000CVC MDL No:
Product Description
Catalog Number:
AG000CVC
Chemical Name:
Acetic acid, 2-[1-(4-methoxyphenyl)-2-pyrrolidinylidene]-, ethyl ester, (2E)-
CAS Number:
116614-90-5
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
ethyl 2-[1-(4-methoxyphenyl)pyrrolidin-2-ylidene]acetate
InChI:
InChI=1S/C15H19NO3/c1-3-19-15(17)11-13-5-4-10-16(13)12-6-8-14(18-2)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChI Key:
BUHDEFJDUMVMAW-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/1\CCCN1c1ccc(cc1)OC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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